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GPCR

Name	Kappa-type opioid receptor
Species	Mus musculus (Mouse)
Gene	Oprk1
Synonym	MSL-1 KOR-1 KOPr KOP Kappa receptor K-OR-1 OP2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	380
Amino acid sequence	MESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProt	P33534
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4329
IUPHAR	318
DrugBank	N/A

Ligand

Name	CHEMBL520557
Molecular formula	C29H30N2O3
IUPAC name	(1S,2S,15R,23R)-24-(cyclopropylmethyl)-16-oxa-13,24-diazaoctacyclo[15.9.1.15,9.01,15.02,23.04,14.021,27.013,28]octacosa-4(14),5,7,9(28),17,19,21(27)-heptaene-2,18-diol
Molecular weight	454.57
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.6
Synonyms	(4bS,8R,8aS,16bR)-7-(cyclopropylmethyl)-5,6,7,8,8a,9,13,14,15,16b-decahydro-4,8-methanobenzofuro[2,3-a]dipyrido[4,3-b:3'',2'',1''-jk]carbazole-1,8a-diol BDBM50244419 (5R,9R,13S,14S)-17-cyclopropylmethyl-6,7-didehydro-4,5-epoxy-5'',6''-dihydro-4''H-pyrrolo[3,2,1-ij]quinolino[2'',1'':6,7]morphinan-3,14-diol
Inchi Key	BANOAHCDQRCVAB-KZNIJNHCSA-N
Inchi ID	InChI=1S/C29H30N2O3/c32-21-9-8-18-13-22-29(33)14-20-19-5-1-3-17-4-2-11-31(24(17)19)25(20)27-28(29,23(18)26(21)34-27)10-12-30(22)15-16-6-7-16/h1,3,5,8-9,16,22,27,32-33H,2,4,6-7,10-15H2/t22-,27+,28+,29-/m1/s1
PubChem CID	24949683
ChEMBL	CHEMBL520557
IUPHAR	N/A
BindingDB	50244419
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	27.54 nM	PMID18637671	ChEMBL

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